BU85LP -OEChem-04022117133D 44 46 0 1 0 0 0 0 0999 V2000 -3.2262 -1.5892 -0.3908 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1147 -1.6374 -0.1421 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 2.8822 -0.4366 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4347 -2.1851 -1.6959 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3113 -1.5036 0.5676 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 -0.0397 -0.5575 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6529 0.9151 0.5801 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5430 1.9629 0.5339 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8936 1.7702 0.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 2.9050 -0.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1254 1.4588 0.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -2.4545 0.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6535 1.8649 -0.6921 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4043 0.5878 1.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3055 -3.8790 0.7318 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6504 -2.4306 -0.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 1.3999 -0.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7127 0.1229 1.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 0.5290 0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8447 0.0482 -0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0204 0.7650 -0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1578 -0.0809 -0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8081 -1.4118 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6669 0.3681 1.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5783 2.5217 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2338 2.1807 1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7319 1.2473 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8462 2.5833 -1.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7244 3.9324 -0.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3158 0.3306 -1.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 -1.9256 1.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2905 2.5511 -1.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1899 0.2683 2.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4961 -4.4111 1.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1800 -3.8901 1.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 -4.4434 -0.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1959 -2.8994 0.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3490 -1.4168 -0.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8163 -2.9804 -1.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5545 1.7274 -1.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1061 -0.5473 1.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0719 1.8445 0.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1805 0.2689 -0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4662 -2.2624 -0.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 20 1 0 0 0 0 2 23 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 31 1 0 0 0 0 13 17 1 0 0 0 0 13 32 1 0 0 0 0 14 18 2 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 19 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 M END $$$$